2-ethyl-6-methyl-1-(oxetan-2-ylmethyl)benzimidazole

C14H18N2O — CID 166715649

IUPAC2-ethyl-6-methyl-1-(oxetan-2-ylmethyl)benzimidazole
SMILESCCc1nc2ccc(C)cc2n1CC1CCO1
InChIInChI=1S/C14H18N2O/c1-3-14-15-12-5-4-10(2)8-13(12)16(14)9-11-6-7-17-11/h4-5,8,11H,3,6-7,9H2,1-2H3
InChIKeyKDQSDVBFNXEFHT-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.70
Rot. Bonds3

About 2-ethyl-6-methyl-1-(oxetan-2-ylmethyl)benzimidazole

2-ethyl-6-methyl-1-(oxetan-2-ylmethyl)benzimidazole (PubChem CID 166715649) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-ethyl-6-methyl-1-(oxetan-2-ylmethyl)benzimidazole.

Molecular Properties

Compound Name2-ethyl-6-methyl-1-(oxetan-2-ylmethyl)benzimidazole
PubChem CID166715649
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-ethyl-6-methyl-1-(oxetan-2-ylmethyl)benzimidazole
SMILESCCc1nc2ccc(C)cc2n1CC1CCO1
InChIInChI=1S/C14H18N2O/c1-3-14-15-12-5-4-10(2)8-13(12)16(14)9-11-6-7-17-11/h4-5,8,11H,3,6-7,9H2,1-2H3
InChIKeyKDQSDVBFNXEFHT-UHFFFAOYSA-N
XLogP2.70
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-ethyl-3-(oxetan-2-ylmethyl)benzimidazol-5-yl]ethanone
CID 178171699
2-(hydroxymethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
CID 175517363
2-[2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-2-methylpropanoic acid
CID 175517448
2-[2-(chloromethyl)-3-(oxetan-2-ylmethyl)benzimidazol-5-yl]acetic acid
CID 174208014
N-[3-(2-ethyl-6-methylbenzimidazol-1-yl)propyl]-2,4-dimethylaniline
CID 134816365
tert-butyl 2-(chloromethyl)-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylate
CID 155090497
(1-ethyl-6-methylbenzimidazol-2-yl)methanamine
CID 123207150
2-[[4-[4-(4-methylphenoxy)benzoyl]piperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
CID 164601715
2-[(4-methylphenoxy)methyl]-1-[[(2S)-oxolan-2-yl]methyl]benzimidazole
CID 100659308
1-[5-[[6-[1-[[6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]-2-pyridinyl]oxymethyl]thiophen-2-yl]ethanone
CID 174332180
1-[5-[[6-[1-[[6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]-2-pyridinyl]oxymethyl]thiophen-3-yl]ethanone
CID 174332183
2-(chloromethyl)-1-[(4-ethylphenyl)methyl]-6-methylbenzimidazole
CID 106900389

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-1-(oxetan-2-ylmethyl)benzimidazole?
The IUPAC name of 2-ethyl-6-methyl-1-(oxetan-2-ylmethyl)benzimidazole (CID 166715649) is 2-ethyl-6-methyl-1-(oxetan-2-ylmethyl)benzimidazole.
What is the SMILES notation for 2-ethyl-6-methyl-1-(oxetan-2-ylmethyl)benzimidazole?
The canonical SMILES for 2-ethyl-6-methyl-1-(oxetan-2-ylmethyl)benzimidazole is CCc1nc2ccc(C)cc2n1CC1CCO1.
What is the InChIKey of 2-ethyl-6-methyl-1-(oxetan-2-ylmethyl)benzimidazole?
The InChIKey is KDQSDVBFNXEFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-14-15-12-5-4-10(2)8-13(12)16(14)9-11-6-7-17-11/h4-5,8,11H,3,6-7,9H2,1-2H3.
What are the key properties of 2-ethyl-6-methyl-1-(oxetan-2-ylmethyl)benzimidazole?
2-ethyl-6-methyl-1-(oxetan-2-ylmethyl)benzimidazole has a molecular weight of 230.31 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-1-(oxetan-2-ylmethyl)benzimidazole is sourced from PubChem (CID 166715649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).